6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine

C16H18N4O — CID 79277756

IUPAC6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCCOc1ccc(-n2c(N)nc3cc(C)cnc32)cc1
InChIInChI=1S/C16H18N4O/c1-3-8-21-13-6-4-12(5-7-13)20-15-14(19-16(20)17)9-11(2)10-18-15/h4-7,9-10H,3,8H2,1-2H3,(H2,17,19)
InChIKeyJSMRPVMWNMBANK-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.10
Rot. Bonds4

About 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine

6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79277756) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79277756
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCCCOc1ccc(-n2c(N)nc3cc(C)cnc32)cc1
InChIInChI=1S/C16H18N4O/c1-3-8-21-13-6-4-12(5-7-13)20-15-14(19-16(20)17)9-11(2)10-18-15/h4-7,9-10H,3,8H2,1-2H3,(H2,17,19)
InChIKeyJSMRPVMWNMBANK-UHFFFAOYSA-N
XLogP3.10
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine (CID 79277756) is 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine is CCCOc1ccc(-n2c(N)nc3cc(C)cnc32)cc1.
What is the InChIKey of 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is JSMRPVMWNMBANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-8-21-13-6-4-12(5-7-13)20-15-14(19-16(20)17)9-11(2)10-18-15/h4-7,9-10H,3,8H2,1-2H3,(H2,17,19).
What are the key properties of 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine?
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79277756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).